element(s):
['K']
AFLOW prototype label:
A_hP3_191_ad
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4143', '1.1679996']
model name:
Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['K', 'K']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
spacegroup =  191
cell =  [[5.4143, 0, 0], [-2.70715, 4.6889213437101, 0], [0, 0, 6.3239]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:04:22        2.736440         6.916494
BFGS:    1 13:04:22        2.089029         6.025986
BFGS:    2 13:04:22        1.526745         5.232834
BFGS:    3 13:04:22        1.038728         4.543882
BFGS:    4 13:04:22        0.614580         3.947082
BFGS:    5 13:04:22        0.245176         3.430619
BFGS:    6 13:04:22       -0.077377         2.982968
BFGS:    7 13:04:22       -0.359806         2.593163
BFGS:    8 13:04:22       -0.607871         2.254348
BFGS:    9 13:04:22       -0.826242         1.949558
BFGS:   10 13:04:23       -1.018586         1.677200
BFGS:   11 13:04:23       -1.188241         1.431210
BFGS:   12 13:04:23       -1.338075         1.207130
BFGS:   13 13:04:23       -1.470656         1.001876
BFGS:   14 13:04:23       -1.588381         1.020960
BFGS:   15 13:04:23       -1.693549         1.095496
BFGS:   16 13:04:23       -1.788379         1.169225
BFGS:   17 13:04:23       -1.875075         1.254577
BFGS:   18 13:04:23       -1.955789         1.322162
BFGS:   19 13:04:23       -2.032397         1.378476
BFGS:   20 13:04:23       -2.104560         1.417399
BFGS:   21 13:04:23       -2.169314         1.432679
BFGS:   22 13:04:23       -2.227066         1.423851
BFGS:   23 13:04:24       -2.278713         1.391982
BFGS:   24 13:04:24       -2.324758         1.337938
BFGS:   25 13:04:24       -2.365510         1.261315
BFGS:   26 13:04:24       -2.401175         1.159431
BFGS:   27 13:04:24       -2.431969         1.026543
BFGS:   28 13:04:24       -2.458388         0.853347
BFGS:   29 13:04:24       -2.482022         0.626753
BFGS:   30 13:04:24       -2.507798         0.502540
BFGS:   31 13:04:24       -2.548142         0.451646
BFGS:   32 13:04:24       -2.586646         0.366191
BFGS:   33 13:04:24       -2.618325         0.268335
BFGS:   34 13:04:24       -2.641155         0.177981
BFGS:   35 13:04:24       -2.652479         0.082342
BFGS:   36 13:04:24       -2.653349         0.017499
BFGS:   37 13:04:25       -2.653370         0.003879
BFGS:   38 13:04:25       -2.653372         0.000023
BFGS:   39 13:04:25       -2.653372         0.000000
BFGS:   40 13:04:25       -2.653372         0.000000
Minimization converged after 40 steps.
Maximum force component: 9.007495406576442e-32 eV/Angstrom
Maximum stress component: 6.347706805151689e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['K', 'K', 'K']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]
 [0.66666667 0.33333333 0.5       ]]
cellpar =  Cell([[7.307748453567774, 3.203660889509427e-17, -1.0779566360678325e-35], [-3.653874226783887, 6.328695805256139, -2.3120927240204695e-35], [5.726968963659549e-35, 2.6153198480244683e-36, 4.3541033626783285]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-9.00749541e-32  5.20047990e-32 -1.01412678e-67]
 [ 8.63218310e-32 -4.55041991e-32  7.76637257e-68]]
stress =  [ 6.34770681e-13  6.34770681e-13 -1.67218342e-13  8.72159651e-38
  1.51062483e-37 -2.33302606e-28]
energy per atom =  -0.8844571978328944
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0